14
s-4-NO2C6H3N2_UB3LYP-aug-cc-pVDZ-Opt
 C        -1.235686444654     -0.432637800484     -0.011832918993
 N        -2.633621520311     -0.607357495563      0.009958515009
 N        -3.747103146716     -0.667399925277      0.020363064637
 C        -0.875841078631      0.913553972722     -0.131434452186
 C         0.549753050396      1.031221326682     -0.148365569667
 C         1.380099193154     -0.078376914737     -0.055108402025
 N         2.860288623374      0.115467490758     -0.079057965723
 O         3.285211903261      1.259705595447     -0.181389386861
 O         3.565293583035     -0.887854100779      0.005691897868
 C         0.914080270609     -1.408638369188      0.063602279953
 C        -0.448485546194     -1.611725684645      0.087790487032
 H         1.015887824901      2.012695307121     -0.236436733135
 H         1.621954290281     -2.229239789620      0.132103021986
 H        -0.881971002506     -2.608133612437      0.177066162104
